Molecule ID: mol21543

SMILES: C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cc(F)cc(Cl)c3)ccc1O2

InChI: InChI=1S/C21H20ClFN2O3/c1-20-4-5-26-10-18(20)21(11-27-19(24)25-21)16-8-12(2-3-17(16)28-20)13-6-14(22)9-15(23)7-13/h2-3,6-9,18H,4-5,10-11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization